MMsINC Database Search


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MMsINC code: MMs02133278

Type: Neutral
Formula: C₁₉H₁₈ClNO₂

SMILES:

Clc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)c1ccccc1

InChI:

InChI=1/C19H18ClNO2/c20-17-8-6-16(7-9-17)19(23)21-12-10-15(11-13-21)18(22)14-4-2-1-3-5-14/h1-9,15H,10-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.4029 kcal/mol

Physical Properties
Molecular Weight: 327.811 g/mol	logS: -4.56742	SlogP: 4.0751	Reactive groups: 0

Topological Properties
Globularity: 0.072314	Sterimol/B1: 3.3975	Sterimol/B2: 3.98059	Sterimol/B3: 4.09531
Sterimol/B4: 4.19376	Sterimol/L: 18.3057

Surface and Volume Properties
Accessible surface: 568.518	Positive charged surface: 296.555	Negative charged surface: 271.962	Volume: 308
Hydrophobic surface: 506.028	Hydrophilic surface: 62.49

Pharmacophoric Properties
Hydrogen bond donors: 0	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.