MMsINC Database Search


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MMsINC code: MMs02693164

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1cc(NC(=O)c2cc(cc(c2)C)C)c(O)cc1

InChI:

InChI=1/C15H14ClNO2/c1-9-5-10(2)7-11(6-9)15(19)17-13-8-12(16)3-4-14(13)18/h3-8,18H,1-2H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.9014 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -4.67505	SlogP: 3.91474	Reactive groups: 0

Topological Properties
Globularity: 0.0293337	Sterimol/B1: 2.01719	Sterimol/B2: 2.59672	Sterimol/B3: 3.41632
Sterimol/B4: 7.56414	Sterimol/L: 14.606

Surface and Volume Properties
Accessible surface: 507.123	Positive charged surface: 262.048	Negative charged surface: 245.075	Volume: 257.125
Hydrophobic surface: 427.687	Hydrophilic surface: 79.436

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.