MMsINC Database Search


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MMsINC code: MMs01907029

Type: Neutral
Formula: C₂₃H₁₈FNO₅

SMILES:

Fc1cc(ccc1)C1N(Cc2occc2)C(=O)C(=O)C1C(=O)c1ccc(OC)cc1

InChI:

InChI=1/C23H18FNO5/c1-29-17-9-7-14(8-10-17)21(26)19-20(15-4-2-5-16(24)12-15)25(23(28)22(19)27)13-18-6-3-11-30-18/h2-12,19-20H,13H2,1H3/t19-,20+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.1709 kcal/mol

Physical Properties
Molecular Weight: 407.397 g/mol	logS: -5.62577	SlogP: 3.9409	Reactive groups: 0

Topological Properties
Globularity: 0.126467	Sterimol/B1: 4.59684	Sterimol/B2: 4.60887	Sterimol/B3: 5.74128
Sterimol/B4: 6.95545	Sterimol/L: 16.8657

Surface and Volume Properties
Accessible surface: 653.826	Positive charged surface: 340.585	Negative charged surface: 313.241	Volume: 368
Hydrophobic surface: 536.846	Hydrophilic surface: 116.98

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01907030 IBS-ZINC04903555	MMs01907032 IBS-ZINC04903555	MMs01907033 IBS-ZINC04903555
MMs01907031 IBS-ZINC04903555