MMsINC Database Search


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MMsINC code: MMs02573418

Type: Neutral
Formula: C₂₅H₂₄NO+

SMILES:

[o+]1c2c(cc(cc2)C)c(N(Cc2ccccc2)C)cc1-c1ccc(cc1)C

InChI:

InChI=1/C25H24NO/c1-18-9-12-21(13-10-18)25-16-23(22-15-19(2)11-14-24(22)27-25)26(3)17-20-7-5-4-6-8-20/h4-16H,17H2,1-3H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=160.22 kcal/mol

Physical Properties
Molecular Weight: 354.473 g/mol	logS: -8.14279	SlogP: 6.90054	Reactive groups: 0

Topological Properties
Globularity: 0.0449073	Sterimol/B1: 3.0441	Sterimol/B2: 4.12673	Sterimol/B3: 4.3092
Sterimol/B4: 9.02353	Sterimol/L: 17.567

Surface and Volume Properties
Accessible surface: 655.024	Positive charged surface: 395.576	Negative charged surface: 250.518	Volume: 372.25
Hydrophobic surface: 631.463	Hydrophilic surface: 23.561

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
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.