MMsINC Database Search


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MMsINC code: MMs01208960

Type: Neutral
Formula: C₂₅H₃₀N₂O

SMILES:

O=C(N(Cc1ccccc1)C)c1n(Cc2ccccc2C)c(C)c(CC)c1C

InChI:

InChI=1/C25H30N2O/c1-6-23-19(3)24(25(28)26(5)16-21-13-8-7-9-14-21)27(20(23)4)17-22-15-11-10-12-18(22)2/h7-15H,6,16-17H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.3545 kcal/mol

Physical Properties
Molecular Weight: 374.528 g/mol	logS: -5.07444	SlogP: 5.82903	Reactive groups: 0

Topological Properties
Globularity: 0.17401	Sterimol/B1: 2.52315	Sterimol/B2: 3.06312	Sterimol/B3: 5.51013
Sterimol/B4: 9.8374	Sterimol/L: 15.64

Surface and Volume Properties
Accessible surface: 639.692	Positive charged surface: 413.445	Negative charged surface: 226.247	Volume: 402.625
Hydrophobic surface: 590.511	Hydrophilic surface: 49.181

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.