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MMsINC code: MMs01675156

Type: Neutral
Formula: C₂₄H₁₇NO₂

SMILES:

OC(=O)c1cc(nc2c1cccc2)\C=C\c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C24H17NO2/c26-24(27)22-16-20(25-23-9-5-4-8-21(22)23)15-12-17-10-13-19(14-11-17)18-6-2-1-3-7-18/h1-16H,(H,26,27)/b15-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.087 kcal/mol

Physical Properties
Molecular Weight: 351.405 g/mol	logS: -6.7694	SlogP: 5.7704	Reactive groups: 0

Topological Properties
Globularity: 2.71413e-05	Sterimol/B1: 2.10512	Sterimol/B2: 2.10646	Sterimol/B3: 5.33263
Sterimol/B4: 5.57735	Sterimol/L: 20.3955

Surface and Volume Properties
Accessible surface: 629.883	Positive charged surface: 304.648	Negative charged surface: 308.628	Volume: 348.625
Hydrophobic surface: 522.78	Hydrophilic surface: 107.103

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

MMs01675157
ENAMINE-ZINC06566113