MMsINC Database Search


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MMsINC code: MMs00636277

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₂

SMILES:

Clc1ccccc1CNC(=O)c1ccc(NC(=O)CCC)cc1

InChI:

InChI=1/C18H19ClN2O2/c1-2-5-17(22)21-15-10-8-13(9-11-15)18(23)20-12-14-6-3-4-7-16(14)19/h3-4,6-11H,2,5,12H2,1H3,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.6723 kcal/mol

Physical Properties
Molecular Weight: 330.815 g/mol	logS: -4.95964	SlogP: 4.275	Reactive groups: 0

Topological Properties
Globularity: 0.0367126	Sterimol/B1: 3.05496	Sterimol/B2: 3.53788	Sterimol/B3: 4.74013
Sterimol/B4: 7.25305	Sterimol/L: 17.9522

Surface and Volume Properties
Accessible surface: 608.579	Positive charged surface: 348.253	Negative charged surface: 260.326	Volume: 317.375
Hydrophobic surface: 498.072	Hydrophilic surface: 110.507

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.