MMsINC Database Search


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MMsINC code: MMs01060006

Type: Neutral
Formula: C₂₅H₂₄N₂O

SMILES:

O=C(NCc1ccccc1)c1cc2c(n(Cc3ccccc3)c(C)c2C)cc1

InChI:

InChI=1/C25H24N2O/c1-18-19(2)27(17-21-11-7-4-8-12-21)24-14-13-22(15-23(18)24)25(28)26-16-20-9-5-3-6-10-20/h3-15H,16-17H2,1-2H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.342 kcal/mol

Physical Properties
Molecular Weight: 368.48 g/mol	logS: -5.72458	SlogP: 5.76924	Reactive groups: 0

Topological Properties
Globularity: 0.0576881	Sterimol/B1: 2.27495	Sterimol/B2: 2.84067	Sterimol/B3: 4.56601
Sterimol/B4: 9.66717	Sterimol/L: 17.7345

Surface and Volume Properties
Accessible surface: 675.278	Positive charged surface: 385.921	Negative charged surface: 283.551	Volume: 382.625
Hydrophobic surface: 613.007	Hydrophilic surface: 62.271

Pharmacophoric Properties
Hydrogen bond donors: 1	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.