MMsINC Database Search


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MMsINC code: MMs00236153

Type: Neutral
Formula: C₁₈H₁₆FNO₃

SMILES:

Fc1ccc(cc1)C(=O)CN1c2cc(ccc2OC(C)C1=O)C

InChI:

InChI=1/C18H16FNO3/c1-11-3-8-17-15(9-11)20(18(22)12(2)23-17)10-16(21)13-4-6-14(19)7-5-13/h3-9,12H,10H2,1-2H3/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.5911 kcal/mol

Physical Properties
Molecular Weight: 313.328 g/mol	logS: -4.87556	SlogP: 3.13092	Reactive groups: 0

Topological Properties
Globularity: 0.105494	Sterimol/B1: 2.06401	Sterimol/B2: 3.20879	Sterimol/B3: 4.04169
Sterimol/B4: 9.95581	Sterimol/L: 14.6144

Surface and Volume Properties
Accessible surface: 546.106	Positive charged surface: 301.228	Negative charged surface: 244.878	Volume: 290.875
Hydrophobic surface: 463.702	Hydrophilic surface: 82.404

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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: no related molecules available.