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MMsINC code: MMs02873172

Type: Neutral
Formula: C₂₄H₂₅NO₂

SMILES:

OC(=O)c1c2cc(ccc2nc(-c2ccc(cc2)C2CCCCC2)c1C)C

InChI:

InChI=1/C24H25NO2/c1-15-8-13-21-20(14-15)22(24(26)27)16(2)23(25-21)19-11-9-18(10-12-19)17-6-4-3-5-7-17/h8-14,17H,3-7H2,1-2H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.8285 kcal/mol

Physical Properties
Molecular Weight: 359.469 g/mol	logS: -7.92037	SlogP: 6.26454	Reactive groups: 0

Topological Properties
Globularity: 0.0341075	Sterimol/B1: 3.32042	Sterimol/B2: 3.3702	Sterimol/B3: 3.4769
Sterimol/B4: 6.72862	Sterimol/L: 19.1141

Surface and Volume Properties
Accessible surface: 641.895	Positive charged surface: 404.161	Negative charged surface: 229.899	Volume: 366.625
Hydrophobic surface: 543.688	Hydrophilic surface: 98.207

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02873173
PUBCHEM-ZINC02111618