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MMsINC code: MMs01923512

Type: Neutral
Formula: C₂₃H₂₄ClNO₃

SMILES:

Clc1cc2c(OC(=O)C(Cc3ccccc3)=C2C)c(CN2CCCCC2)c1O

InChI:

InChI=1/C23H24ClNO3/c1-15-17-13-20(24)21(26)19(14-25-10-6-3-7-11-25)22(17)28-23(27)18(15)12-16-8-4-2-5-9-16/h2,4-5,8-9,13,26H,3,6-7,10-12,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.387 kcal/mol

Physical Properties
Molecular Weight: 397.902 g/mol	logS: -5.9383	SlogP: 5.23307	Reactive groups: 0

Topological Properties
Globularity: 0.0809983	Sterimol/B1: 2.5412	Sterimol/B2: 4.58979	Sterimol/B3: 5.00669
Sterimol/B4: 7.10844	Sterimol/L: 16.7083

Surface and Volume Properties
Accessible surface: 632.877	Positive charged surface: 388.347	Negative charged surface: 244.53	Volume: 374.875
Hydrophobic surface: 562.497	Hydrophilic surface: 70.38

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

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Ions/Tautomers related molecules

MMs01923513
IBS-ZINC05119692