MMsINC Database Search


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MMsINC code: MMs02213490

Type: Neutral
Formula: C₂₁H₁₈ClNO

SMILES:

Clc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C21H18ClNO/c22-20-14-8-7-13-19(20)21(24)23(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.589 kcal/mol

Physical Properties
Molecular Weight: 335.834 g/mol	logS: -5.69511	SlogP: 5.7154	Reactive groups: 0

Topological Properties
Globularity: 0.110131	Sterimol/B1: 2.5374	Sterimol/B2: 3.48027	Sterimol/B3: 3.72444
Sterimol/B4: 10.9254	Sterimol/L: 13.6562

Surface and Volume Properties
Accessible surface: 562.326	Positive charged surface: 273.965	Negative charged surface: 288.362	Volume: 327.375
Hydrophobic surface: 529.046	Hydrophilic surface: 33.28

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.