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MMsINC code: MMs02328220

Type: Neutral
Formula: C₂₀H₂₉ClN₂O

SMILES:

Clc1cc(NC(=O)NC2CCC(CC2)CC2CCCCC2)ccc1

InChI:

InChI=1/C20H29ClN2O/c21-17-7-4-8-19(14-17)23-20(24)22-18-11-9-16(10-12-18)13-15-5-2-1-3-6-15/h4,7-8,14-16,18H,1-3,5-6,9-13H2,(H2,22,23,24)/t16-,18+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.9618 kcal/mol

Physical Properties
Molecular Weight: 348.918 g/mol	logS: -7.13812	SlogP: 5.9907	Reactive groups: 0

Topological Properties
Globularity: 0.0637972	Sterimol/B1: 2.8246	Sterimol/B2: 4.4265	Sterimol/B3: 5.09055
Sterimol/B4: 5.82281	Sterimol/L: 18.4473

Surface and Volume Properties
Accessible surface: 627.333	Positive charged surface: 415.042	Negative charged surface: 212.292	Volume: 352.375
Hydrophobic surface: 581.171	Hydrophilic surface: 46.162

Pharmacophoric Properties
Hydrogen bond donors: 2	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.