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MMsINC code: MMs01257568

Type: Tautomer
Formula: C₂₄H₂₆N₂O₃

SMILES:

O1c2c(cc(C)c(c2)C)C(=CC1=O)CN1CCN(CC1)c1ccc(cc1)C(=O)C

InChI:

InChI=1/C24H26N2O3/c1-16-12-22-20(14-24(28)29-23(22)13-17(16)2)15-25-8-10-26(11-9-25)21-6-4-19(5-7-21)18(3)27/h4-7,12-14H,8-11,15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=184.904 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -5.80918	SlogP: 3.63064	Reactive groups: 0

Topological Properties
Globularity: 0.0919118	Sterimol/B1: 2.08746	Sterimol/B2: 3.37984	Sterimol/B3: 4.74144
Sterimol/B4: 8.80126	Sterimol/L: 18.1515

Surface and Volume Properties
Accessible surface: 668.738	Positive charged surface: 422.096	Negative charged surface: 246.641	Volume: 384.25
Hydrophobic surface: 542.409	Hydrophilic surface: 126.329

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

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Parent related molecule:

MMs01257567
ENAMINE-ZINC02624310