MMsINC Database Search


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MMsINC code: MMs03130296

Type: Neutral
Formula: C₂₄H₂₈N₂O

SMILES:

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

InChI:

InChI=1/C24H28N2O/c1-18-6-8-19(9-7-18)24(27,20-10-14-22(15-11-20)25(2)3)21-12-16-23(17-13-21)26(4)5/h6-17,27H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=167.855 kcal/mol

Physical Properties
Molecular Weight: 360.501 g/mol	logS: -5.02044	SlogP: 4.72272	Reactive groups: 0

Topological Properties
Globularity: 0.176791	Sterimol/B1: 2.2254	Sterimol/B2: 2.89099	Sterimol/B3: 5.49292
Sterimol/B4: 11.6	Sterimol/L: 15.7348

Surface and Volume Properties
Accessible surface: 659.859	Positive charged surface: 490.137	Negative charged surface: 169.722	Volume: 381.25
Hydrophobic surface: 637.07	Hydrophilic surface: 22.789

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.