MMsINC Database Search


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MMsINC code: MMs00284835

Type: Neutral
Formula: C₁₅H₁₉ClN₂O₂

SMILES:

Clc1ccccc1CNC(=O)C(=O)NC1CCCCC1

InChI:

InChI=1/C15H19ClN2O2/c16-13-9-5-4-6-11(13)10-17-14(19)15(20)18-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,10H2,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.4547 kcal/mol

Physical Properties
Molecular Weight: 294.782 g/mol	logS: -3.90901	SlogP: 2.6715	Reactive groups: 0

Topological Properties
Globularity: 0.0480456	Sterimol/B1: 2.21526	Sterimol/B2: 3.23472	Sterimol/B3: 4.50459
Sterimol/B4: 5.0757	Sterimol/L: 17.0704

Surface and Volume Properties
Accessible surface: 547.956	Positive charged surface: 330.643	Negative charged surface: 217.313	Volume: 279.375
Hydrophobic surface: 453.263	Hydrophilic surface: 94.693

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.