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MMsINC code: MMs00542862

Type: Neutral
Formula: C₂₁H₂₁ClN₂O₃

SMILES:

Clc1ccc(cc1)C(=O)C1C(N(CCN(C)C)C(=O)C1=O)c1ccccc1

InChI:

InChI=1/C21H21ClN2O3/c1-23(2)12-13-24-18(14-6-4-3-5-7-14)17(20(26)21(24)27)19(25)15-8-10-16(22)11-9-15/h3-11,17-18H,12-13H2,1-2H3/t17-,18+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.8483 kcal/mol

Physical Properties
Molecular Weight: 384.863 g/mol	logS: -4.39312	SlogP: 2.9486	Reactive groups: 0

Topological Properties
Globularity: 0.133063	Sterimol/B1: 2.47323	Sterimol/B2: 2.7618	Sterimol/B3: 5.94057
Sterimol/B4: 9.14886	Sterimol/L: 17.8575

Surface and Volume Properties
Accessible surface: 640.412	Positive charged surface: 359.841	Negative charged surface: 280.571	Volume: 361.375
Hydrophobic surface: 544.803	Hydrophilic surface: 95.609

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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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