MMsINC Database Search


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MMsINC code: MMs02267602

Type: Neutral
Formula: C₂₄H₃₆NO+

SMILES:

Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)Cc1ccc([N+](C)(C)C)cc1

InChI:

InChI=1/C24H35NO/c1-23(2,3)19-15-18(22(26)21(16-19)24(4,5)6)14-17-10-12-20(13-11-17)25(7,8)9/h10-13,15-16H,14H2,1-9H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.717 kcal/mol

Physical Properties
Molecular Weight: 354.558 g/mol	logS: -6.3486	SlogP: 5.77467	Reactive groups: 0

Topological Properties
Globularity: 0.136275	Sterimol/B1: 2.40401	Sterimol/B2: 4.17146	Sterimol/B3: 4.31244
Sterimol/B4: 9.50067	Sterimol/L: 15.2713

Surface and Volume Properties
Accessible surface: 652.357	Positive charged surface: 494.101	Negative charged surface: 158.255	Volume: 396.75
Hydrophobic surface: 482.816	Hydrophilic surface: 169.541

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.