MMsINC Database Search


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MMsINC code: MMs02320743

Type: Neutral
Formula: C₂₁H₁₇NO₂

SMILES:

O=C(C(NC(=O)c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C21H17NO2/c23-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)22-21(24)18-14-8-3-9-15-18/h1-15,19H,(H,22,24)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.514 kcal/mol

Physical Properties
Molecular Weight: 315.372 g/mol	logS: -5.39816	SlogP: 4.1361	Reactive groups: 0

Topological Properties
Globularity: 0.127199	Sterimol/B1: 2.51567	Sterimol/B2: 3.20538	Sterimol/B3: 4.65166
Sterimol/B4: 8.40666	Sterimol/L: 16.3636

Surface and Volume Properties
Accessible surface: 576.021	Positive charged surface: 292.998	Negative charged surface: 283.024	Volume: 315.25
Hydrophobic surface: 517.236	Hydrophilic surface: 58.785

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.