MMsINC Database Search


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MMsINC code: MMs02005253

Type: Neutral
Formula: C₁₇H₁₇ClN₂O₂

SMILES:

Clc1cccc(NC(=O)C(=O)NCc2ccc(cc2)C)c1C

InChI:

InChI=1/C17H17ClN2O2/c1-11-6-8-13(9-7-11)10-19-16(21)17(22)20-15-5-3-4-14(18)12(15)2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.8512 kcal/mol

Physical Properties
Molecular Weight: 316.788 g/mol	logS: -4.89612	SlogP: 3.47814	Reactive groups: 0

Topological Properties
Globularity: 0.0379206	Sterimol/B1: 3.17239	Sterimol/B2: 3.82584	Sterimol/B3: 4.27285
Sterimol/B4: 5.17124	Sterimol/L: 19.0913

Surface and Volume Properties
Accessible surface: 587.248	Positive charged surface: 311.692	Negative charged surface: 275.556	Volume: 300
Hydrophobic surface: 492.135	Hydrophilic surface: 95.113

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.