MMsINC Database Search


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MMsINC code: MMs01934078

Type: Neutral
Formula: C₁₇H₁₅ClN₂O

SMILES:

Clc1cc2cc([nH]c2cc1)C(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C17H15ClN2O/c1-20(11-12-5-3-2-4-6-12)17(21)16-10-13-9-14(18)7-8-15(13)19-16/h2-10,19H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.4405 kcal/mol

Physical Properties
Molecular Weight: 298.773 g/mol	logS: -4.37003	SlogP: 4.3599	Reactive groups: 0

Topological Properties
Globularity: 0.0753059	Sterimol/B1: 2.08475	Sterimol/B2: 3.55118	Sterimol/B3: 4.01494
Sterimol/B4: 6.10518	Sterimol/L: 16.4106

Surface and Volume Properties
Accessible surface: 525.225	Positive charged surface: 270.773	Negative charged surface: 249.331	Volume: 282.75
Hydrophobic surface: 479.867	Hydrophilic surface: 45.358

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

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Ions/Tautomers related molecules: no related molecules available.