MMsINC Database Search


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MMsINC code: MMs02395241

Type: Neutral
Formula: C₂₅H₁₉NO

SMILES:

O=C(C(c1ccccc1)(c1ccccc1)c1ccncc1)c1ccccc1

InChI:

InChI=1/C25H19NO/c27-24(20-10-4-1-5-11-20)25(21-12-6-2-7-13-21,22-14-8-3-9-15-22)23-16-18-26-19-17-23/h1-19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=180.535 kcal/mol

Physical Properties
Molecular Weight: 349.433 g/mol	logS: -5.54594	SlogP: 5.2989	Reactive groups: 0

Topological Properties
Globularity: 0.442732	Sterimol/B1: 3.81711	Sterimol/B2: 5.02602	Sterimol/B3: 6.52544
Sterimol/B4: 7.17171	Sterimol/L: 14.2478

Surface and Volume Properties
Accessible surface: 566.678	Positive charged surface: 343.288	Negative charged surface: 223.39	Volume: 350
Hydrophobic surface: 532.178	Hydrophilic surface: 34.5

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.