MMsINC Database Search


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MMsINC code: MMs01138875

Type: Neutral
Formula: C₂₅H₃₀N₂O

SMILES:

O=C(N(Cc1ccccc1)Cc1n(ccc1)Cc1ccc(cc1)C)C(C)(C)C

InChI:

InChI=1/C25H30N2O/c1-20-12-14-22(15-13-20)17-26-16-8-11-23(26)19-27(24(28)25(2,3)4)18-21-9-6-5-7-10-21/h5-16H,17-19H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.765 kcal/mol

Physical Properties
Molecular Weight: 374.528 g/mol	logS: -4.53756	SlogP: 6.21892	Reactive groups: 0

Topological Properties
Globularity: 0.148936	Sterimol/B1: 4.18659	Sterimol/B2: 4.44659	Sterimol/B3: 6.19718
Sterimol/B4: 7.1957	Sterimol/L: 15.0144

Surface and Volume Properties
Accessible surface: 628.021	Positive charged surface: 385.251	Negative charged surface: 242.77	Volume: 398.625
Hydrophobic surface: 541.911	Hydrophilic surface: 86.11

Pharmacophoric Properties
Hydrogen bond donors: 0	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.