MMsINC Database Search


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MMsINC code: MMs02223742

Type: Neutral
Formula: C₂₇H₂₄N₂O

SMILES:

Oc1ccccc1\C=N\c1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1

InChI:

InChI=1/C27H24N2O/c30-27-17-8-7-14-24(27)19-28-25-15-9-16-26(18-25)29(20-22-10-3-1-4-11-22)21-23-12-5-2-6-13-23/h1-19,30H,20-21H2/b28-19+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.228 kcal/mol

Physical Properties
Molecular Weight: 392.502 g/mol	logS: -6.41088	SlogP: 6.8824	Reactive groups: 0

Topological Properties
Globularity: 0.106994	Sterimol/B1: 2.86727	Sterimol/B2: 3.16117	Sterimol/B3: 5.69039
Sterimol/B4: 10.3427	Sterimol/L: 17.7109

Surface and Volume Properties
Accessible surface: 691.678	Positive charged surface: 394.128	Negative charged surface: 297.549	Volume: 405.375
Hydrophobic surface: 628.035	Hydrophilic surface: 63.643

Pharmacophoric Properties
Hydrogen bond donors: 1	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.