MMsINC Database Search


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MMsINC code: MMs02766966

Type: Neutral
Formula: C₂₄H₂₄N₂O

SMILES:

O=C1N(Cc2c3c(ccc2)cccc3)C2(N(C1)c1c(cccc1)C2(C)C)C

InChI:

InChI=1/C24H24N2O/c1-23(2)20-13-6-7-14-21(20)25-16-22(27)26(24(23,25)3)15-18-11-8-10-17-9-4-5-12-19(17)18/h4-14H,15-16H2,1-3H3/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=183.161 kcal/mol

Physical Properties
Molecular Weight: 356.469 g/mol	logS: -6.14407	SlogP: 4.9624	Reactive groups: 0

Topological Properties
Globularity: 0.101067	Sterimol/B1: 2.28705	Sterimol/B2: 2.78573	Sterimol/B3: 5.70824
Sterimol/B4: 7.22692	Sterimol/L: 16.8237

Surface and Volume Properties
Accessible surface: 582.132	Positive charged surface: 321.223	Negative charged surface: 250.73	Volume: 358.75
Hydrophobic surface: 496.068	Hydrophilic surface: 86.064

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.