MMsINC Database Search


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MMsINC code: MMs01291611

Type: Neutral
Formula: C₁₅H₁₄ClNO

SMILES:

ClC(C(=O)NCc1ccccc1)c1ccccc1

InChI:

InChI=1/C15H14ClNO/c16-14(13-9-5-2-6-10-13)15(18)17-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.3872 kcal/mol

Physical Properties
Molecular Weight: 259.736 g/mol	logS: -4.06419	SlogP: 3.6448	Reactive groups: 0

Topological Properties
Globularity: 0.0635869	Sterimol/B1: 3.33552	Sterimol/B2: 3.5424	Sterimol/B3: 3.76848
Sterimol/B4: 5.11272	Sterimol/L: 15.5553

Surface and Volume Properties
Accessible surface: 507.185	Positive charged surface: 253.367	Negative charged surface: 253.818	Volume: 251.375
Hydrophobic surface: 404.068	Hydrophilic surface: 103.117

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