MMsINC Database Search


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MMsINC code: MMs01551222

Type: Neutral
Formula: C₂₅H₂₃N₃

SMILES:

N=1N=C(C=C(CC=1c1ccccc1)c1ccc(N(C)C)cc1)c1ccccc1

InChI:

InChI=1/C25H23N3/c1-28(2)23-15-13-19(14-16-23)22-17-24(20-9-5-3-6-10-20)26-27-25(18-22)21-11-7-4-8-12-21/h3-17H,18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=173.421 kcal/mol

Physical Properties
Molecular Weight: 365.48 g/mol	logS: -6.33198	SlogP: 5.4333	Reactive groups: 0

Topological Properties
Globularity: 0.054552	Sterimol/B1: 2.40214	Sterimol/B2: 4.64615	Sterimol/B3: 7.95196
Sterimol/B4: 8.19339	Sterimol/L: 16.0838

Surface and Volume Properties
Accessible surface: 669.76	Positive charged surface: 426.78	Negative charged surface: 242.98	Volume: 382.625
Hydrophobic surface: 635.84	Hydrophilic surface: 33.92

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.