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MMsINC code: MMs01354485

Type: Neutral
Formula: C₂₃H₁₉ClN₂O

SMILES:

Clc1ccccc1C1c2c([nH]c3c2cccc3)C(NC1)c1ccccc1O

InChI:

InChI=1/C23H19ClN2O/c24-18-10-4-1-7-14(18)17-13-25-22(16-9-3-6-12-20(16)27)23-21(17)15-8-2-5-11-19(15)26-23/h1-12,17,22,25-27H,13H2/t17-,22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.329 kcal/mol

Physical Properties
Molecular Weight: 374.871 g/mol	logS: -5.53477	SlogP: 5.4469	Reactive groups: 0

Topological Properties
Globularity: 0.13102	Sterimol/B1: 3.40042	Sterimol/B2: 3.83698	Sterimol/B3: 5.10294
Sterimol/B4: 8.12978	Sterimol/L: 15.8518

Surface and Volume Properties
Accessible surface: 592.596	Positive charged surface: 312.644	Negative charged surface: 276.617	Volume: 352.25
Hydrophobic surface: 536.899	Hydrophilic surface: 55.697

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs01354486
ENAMINE-ZINC03293341