MMsINC Database Search


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MMsINC code: MMs00371311

Type: Neutral
Formula: C₂₄H₂₅N₃O

SMILES:

O=C1Nc2c(cccc2)C1(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C24H25N3O/c1-26(2)19-13-9-17(10-14-19)24(18-11-15-20(16-12-18)27(3)4)21-7-5-6-8-22(21)25-23(24)28/h5-16H,1-4H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=162.61 kcal/mol

Physical Properties
Molecular Weight: 371.484 g/mol	logS: -4.91058	SlogP: 4.1051	Reactive groups: 0

Topological Properties
Globularity: 0.170212	Sterimol/B1: 3.65185	Sterimol/B2: 4.35605	Sterimol/B3: 5.05712
Sterimol/B4: 9.41793	Sterimol/L: 16.1441

Surface and Volume Properties
Accessible surface: 648.788	Positive charged surface: 475.543	Negative charged surface: 173.245	Volume: 377.875
Hydrophobic surface: 590.874	Hydrophilic surface: 57.914

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.