MMsINC Database Search


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MMsINC code: MMs00227224

Type: Neutral
Formula: C₂₅H₂₁NO

SMILES:

O=C(N(Cc1ccccc1)c1cc2c(cc1)cccc2)Cc1ccccc1

InChI:

InChI=1/C25H21NO/c27-25(17-20-9-3-1-4-10-20)26(19-21-11-5-2-6-12-21)24-16-15-22-13-7-8-14-23(22)18-24/h1-16,18H,17,19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.686 kcal/mol

Physical Properties
Molecular Weight: 351.449 g/mol	logS: -6.95613	SlogP: 5.88207	Reactive groups: 0

Topological Properties
Globularity: 0.129339	Sterimol/B1: 3.34097	Sterimol/B2: 3.36752	Sterimol/B3: 4.19475
Sterimol/B4: 9.61409	Sterimol/L: 15.3471

Surface and Volume Properties
Accessible surface: 622.89	Positive charged surface: 332.921	Negative charged surface: 279.162	Volume: 360.125
Hydrophobic surface: 598.132	Hydrophilic surface: 24.758

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.