MMsINC Database Search


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MMsINC code: MMs02424728

Type: Neutral
Formula: C₂₄H₁₉NO

SMILES:

O=C1N(c2c(cccc2)C(=C1)\C=C/c1ccc(cc1)-c1ccccc1)C

InChI:

InChI=1/C24H19NO/c1-25-23-10-6-5-9-22(23)21(17-24(25)26)16-13-18-11-14-20(15-12-18)19-7-3-2-4-8-19/h2-17H,1H3/b16-13-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.752 kcal/mol

Physical Properties
Molecular Weight: 337.422 g/mol	logS: -7.44579	SlogP: 5.4268	Reactive groups: 0

Topological Properties
Globularity: 0.117916	Sterimol/B1: 2.04874	Sterimol/B2: 3.0599	Sterimol/B3: 5.85885
Sterimol/B4: 8.64986	Sterimol/L: 15.4001

Surface and Volume Properties
Accessible surface: 583.502	Positive charged surface: 321.981	Negative charged surface: 252.107	Volume: 343.125
Hydrophobic surface: 546.921	Hydrophilic surface: 36.581

Pharmacophoric Properties
Hydrogen bond donors: 0	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.