MMsINC Database Search


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MMsINC code: MMs02304264

Type: Neutral
Formula: C₂₄H₂₈N₂O

SMILES:

OC(C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)c1ccccc1

InChI:

InChI=1/C24H28N2O/c1-25(2)21-14-10-18(11-15-21)23(24(27)20-8-6-5-7-9-20)19-12-16-22(17-13-19)26(3)4/h5-17,23-24,27H,1-4H3/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=170.23 kcal/mol

Physical Properties
Molecular Weight: 360.501 g/mol	logS: -4.48255	SlogP: 4.7796	Reactive groups: 0

Topological Properties
Globularity: 0.121138	Sterimol/B1: 2.64362	Sterimol/B2: 4.9943	Sterimol/B3: 6.11044
Sterimol/B4: 7.6083	Sterimol/L: 15.6519

Surface and Volume Properties
Accessible surface: 645.151	Positive charged surface: 484.751	Negative charged surface: 160.4	Volume: 380.625
Hydrophobic surface: 624.204	Hydrophilic surface: 20.947

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.