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MMsINC code: MMs02489437

Type: Neutral
Formula: C₂₀H₂₃ClN₂O₂

SMILES:

Clc1cc2Oc3c(cccc3C)C(NC(=O)CN(CC)CC)c2cc1

InChI:

InChI=1/C20H23ClN2O2/c1-4-23(5-2)12-18(24)22-19-15-10-9-14(21)11-17(15)25-20-13(3)7-6-8-16(19)20/h6-11,19H,4-5,12H2,1-3H3,(H,22,24)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0851 kcal/mol

Physical Properties
Molecular Weight: 358.869 g/mol	logS: -5.29493	SlogP: 4.39702	Reactive groups: 0

Topological Properties
Globularity: 0.108708	Sterimol/B1: 2.1398	Sterimol/B2: 4.542	Sterimol/B3: 5.51257
Sterimol/B4: 8.85098	Sterimol/L: 15.4238

Surface and Volume Properties
Accessible surface: 627.319	Positive charged surface: 379.782	Negative charged surface: 247.537	Volume: 348.75
Hydrophobic surface: 557.641	Hydrophilic surface: 69.678

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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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Ions/Tautomers related molecules

MMs02489438
NCID-ZINC05722585