MMsINC Database Search


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MMsINC code: MMs01888908

Type: Neutral
Formula: C₁₆H₁₃ClN₂O

SMILES:

Clc1cc2cc([nH]c2cc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C16H13ClN2O/c17-13-6-7-14-12(8-13)9-15(19-14)16(20)18-10-11-4-2-1-3-5-11/h1-9,19H,10H2,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.3628 kcal/mol

Physical Properties
Molecular Weight: 284.746 g/mol	logS: -4.47602	SlogP: 4.0177	Reactive groups: 0

Topological Properties
Globularity: 0.0481927	Sterimol/B1: 2.90116	Sterimol/B2: 3.61716	Sterimol/B3: 3.61851
Sterimol/B4: 5.9623	Sterimol/L: 17.2213

Surface and Volume Properties
Accessible surface: 530.398	Positive charged surface: 249.612	Negative charged surface: 274.528	Volume: 266.625
Hydrophobic surface: 455.843	Hydrophilic surface: 74.555

Pharmacophoric Properties
Hydrogen bond donors: 2	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.