MMsINC Database Search


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MMsINC code: MMs02999393

Type: Neutral
Formula: C₂₁H₁₇NO₂

SMILES:

O=C(c1ccc(cc1)C(C(=O)N)c1ccccc1)c1ccccc1

InChI:

InChI=1/C21H17NO2/c22-21(24)19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)20(23)17-9-5-2-6-10-17/h1-14,19H,(H2,22,24)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.86 kcal/mol

Physical Properties
Molecular Weight: 315.372 g/mol	logS: -5.41374	SlogP: 3.5348	Reactive groups: 0

Topological Properties
Globularity: 0.119435	Sterimol/B1: 2.4685	Sterimol/B2: 3.12801	Sterimol/B3: 5.05731
Sterimol/B4: 7.33903	Sterimol/L: 15.3987

Surface and Volume Properties
Accessible surface: 564.738	Positive charged surface: 307.993	Negative charged surface: 256.745	Volume: 311.375
Hydrophobic surface: 439.408	Hydrophilic surface: 125.33

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.