MMsINC Database Search


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MMsINC code: MMs02735112

Type: Neutral
Formula: C₂₄H₂₄N₂O

SMILES:

O=C(N(C\C=C\c1ccccc1)c1ccc(cc1)CC)Nc1ccccc1

InChI:

InChI=1/C24H24N2O/c1-2-20-15-17-23(18-16-20)26(19-9-12-21-10-5-3-6-11-21)24(27)25-22-13-7-4-8-14-22/h3-18H,2,19H2,1H3,(H,25,27)/b12-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.2081 kcal/mol

Physical Properties
Molecular Weight: 356.469 g/mol	logS: -6.40892	SlogP: 6.00087	Reactive groups: 0

Topological Properties
Globularity: 0.139132	Sterimol/B1: 3.08431	Sterimol/B2: 3.318	Sterimol/B3: 4.9797
Sterimol/B4: 10.9108	Sterimol/L: 17.0235

Surface and Volume Properties
Accessible surface: 684.199	Positive charged surface: 406.091	Negative charged surface: 278.108	Volume: 374.375
Hydrophobic surface: 623.509	Hydrophilic surface: 60.69

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.