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MMsINC code: MMs02366181

Type: Neutral
Formula: C₂₅H₂₇NO₂

SMILES:

O(C(C(N(C)C)C)c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C25H27NO2/c1-19(26(2)3)24(22-17-11-6-12-18-22)28-25(27)23(20-13-7-4-8-14-20)21-15-9-5-10-16-21/h4-19,23-24H,1-3H3/t19-,24+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.202 kcal/mol

Physical Properties
Molecular Weight: 373.496 g/mol	logS: -5.46354	SlogP: 5.1486	Reactive groups: 0

Topological Properties
Globularity: 0.280365	Sterimol/B1: 3.38548	Sterimol/B2: 5.16919	Sterimol/B3: 5.67885
Sterimol/B4: 6.17615	Sterimol/L: 14.7989

Surface and Volume Properties
Accessible surface: 653.607	Positive charged surface: 416.602	Negative charged surface: 237.005	Volume: 391.625
Hydrophobic surface: 623.464	Hydrophilic surface: 30.143

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02366182
NCID-ZINC01758863