MMsINC Database Search


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MMsINC code: MMs01060142

Type: Neutral
Formula: C₂₃H₂₁ClN₂O₂

SMILES:

Clc1ccc(cc1)Cn1c2c(cc(cc2)C(=O)NCc2occc2)c(C)c1C

InChI:

InChI=1/C23H21ClN2O2/c1-15-16(2)26(14-17-5-8-19(24)9-6-17)22-10-7-18(12-21(15)22)23(27)25-13-20-4-3-11-28-20/h3-12H,13-14H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3937 kcal/mol

Physical Properties
Molecular Weight: 392.886 g/mol	logS: -6.21044	SlogP: 6.01564	Reactive groups: 0

Topological Properties
Globularity: 0.0587237	Sterimol/B1: 2.276	Sterimol/B2: 3.71726	Sterimol/B3: 4.58854
Sterimol/B4: 10.5161	Sterimol/L: 17.3067

Surface and Volume Properties
Accessible surface: 673.061	Positive charged surface: 331.83	Negative charged surface: 335.425	Volume: 377.625
Hydrophobic surface: 595.271	Hydrophilic surface: 77.79

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.