MMsINC Database Search


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MMsINC code: MMs01765101

Type: Neutral
Formula: C₂₅H₂₁FN₂O₃

SMILES:

Fc1ccc(cc1)C(=O)N(CC1=Cc2cc(OC)ccc2NC1=O)c1cc(ccc1)C

InChI:

InChI=1/C25H21FN2O3/c1-16-4-3-5-21(12-16)28(25(30)17-6-8-20(26)9-7-17)15-19-13-18-14-22(31-2)10-11-23(18)27-24(19)29/h3-14H,15H2,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.647 kcal/mol

Physical Properties
Molecular Weight: 416.452 g/mol	logS: -6.7024	SlogP: 4.82522	Reactive groups: 0

Topological Properties
Globularity: 0.144445	Sterimol/B1: 1.969	Sterimol/B2: 3.30384	Sterimol/B3: 7.42483
Sterimol/B4: 7.60524	Sterimol/L: 16.6545

Surface and Volume Properties
Accessible surface: 651.07	Positive charged surface: 399.533	Negative charged surface: 251.537	Volume: 386.875
Hydrophobic surface: 561.823	Hydrophilic surface: 89.247

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

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.