MMsINC Database Search


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MMsINC code: MMs01020139

Type: Neutral
Formula: C₁₉H₁₇ClN₂O₃

SMILES:

Clc1ccccc1N(C(=O)COC1=CC(=O)N(c2c1cccc2)C)C

InChI:

InChI=1/C19H17ClN2O3/c1-21-15-9-5-3-7-13(15)17(11-18(21)23)25-12-19(24)22(2)16-10-6-4-8-14(16)20/h3-11H,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.219 kcal/mol

Physical Properties
Molecular Weight: 356.809 g/mol	logS: -4.82034	SlogP: 3.3369	Reactive groups: 0

Topological Properties
Globularity: 0.0388457	Sterimol/B1: 3.27732	Sterimol/B2: 3.64035	Sterimol/B3: 4.7342
Sterimol/B4: 7.18098	Sterimol/L: 17.105

Surface and Volume Properties
Accessible surface: 591.97	Positive charged surface: 343.197	Negative charged surface: 248.774	Volume: 327.5
Hydrophobic surface: 519.869	Hydrophilic surface: 72.101

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.